Molecular dynamics simulations of complex shaped particles using Minkowski operators

The Minkowski operators (addition and substraction of sets in vectorial spaces) has been extensively used for Computer Graphics and Image Processing to represent complex shapes. Here we propose to apply those mathematical concepts to extend the Molecular Dynamics (MD) Methods for simulations with complex-shaped particles. A new concept of Voronoi-Minkowski diagrams is introduced to generate random packings of complex-shaped particles with tunable particle roundness. By extending the classical concept of Verlet list we achieve numerical efficiencies that do not grow quadratically with the body number of sides. Simulations of dissipative granular materials under shear demonstrate that the method complies with the first law of thermodynamics for energy balance.Comment: Submitted to Phys. Rev.

Application of the SAFT-γ Mie group contribution equation of state to fluids of relevance to the oil and gas industry

Calculated data for all the figures presented in publication

Análisis de las sociedades gestoras de fondo de inversión en España

En el presente artículo se realiza un análisis del sector de las Sociedades Gestoras de Instituciones de Inversión Colectiva en España, no desde el punto de vista del inversor, sino desde la perspectiva de los propios gestores de las instituciones. Se lleva a cabo un análisis sectorial basado en su evolución histórica durante la década de los 90, y se estudian los extraordinarios niveles de rentabilidad que el negocio parece ofrecer, estableciendo matizaciones al respecto. Se realiza también un análisis de las características determinantes de las relaciones entre las sociedades gestoras y sus correspondientes empresas matrices, tanto en lo que se refiere al funcionamiento interno como a los intereses en las empresas participadas por sus fondos.In this paper an analysis o f the Mutual Funds Management sector in Spain is done, not from the point of view of the final investor, but from the managers one. The historical evolution of this sector during the 90’s is resumed, and the uncommon rentability rates are analized, offering a wide range of refinements about this topic. Also, we analize the main characteristics of the relationship between the managers and the main companies, according to the rules of the internal performance and the interest of the funds in the companies wich are being invested

Second and higher-order perturbations of a spherical spacetime

The Gerlach and Sengupta (GS) formalism of coordinate-invariant, first-order, spherical and nonspherical perturbations around an arbitrary spherical spacetime is generalized to higher orders, focusing on second-order perturbation theory. The GS harmonics are generalized to an arbitrary number of indices on the unit sphere and a formula is given for their products. The formalism is optimized for its implementation in a computer algebra system, something that becomes essential in practice given the size and complexity of the equations. All evolution equations for the second-order perturbations, as well as the conservation equations for the energy-momentum tensor at this perturbation order, are given in covariant form, in Regge-Wheeler gauge.Comment: Accepted for publication in Physical Review

A HEV-restricted sulfotransferase is expressed in rheumatoid arthritis synovium and is induced by lymphotoxin-alpha/beta and TNF-alpha in cultured endothelial cells.

BackgroundThe recruitment of lymphocytes to secondary lymphoid organs relies on interactions of circulating cells with high endothelial venules (HEV). HEV are exclusive to these organs under physiological conditions, but they can develop in chronically-inflamed tissues. The interaction of L-selectin on lymphocytes with sulfated glycoprotein ligands on HEV results in lymphocyte rolling, which represents the initial step in lymphocyte homing. HEV expression of GlcNAc6ST-2 (also known as HEC-GlcNAc6ST, GST-3, LSST or CHST4), an HEV-restricted sulfotransferase, is essential for the elaboration of L-selectin functional ligands as well as a critical epitope recognized by MECA-79 mAb.ResultsWe examined the expression of GlcNAc6ST-2 in relationship to the MECA-79 epitope in rheumatoid arthritis (RA) synovial vessels. Expression of GlcNAc6ST-2 was specific to RA synovial tissues as compared to osteoarthritis synovial tissues and localized to endothelial cells of HEV-like vessels and small flat-walled vessels. Double MECA-79 and GlcNAc6ST-2 staining showed colocalization of the MECA-79 epitope and GlcNAc6ST-2. We further found that both TNF-alpha and lymphotoxin-alphabeta induced GlcNAc6ST-2 mRNA and protein in cultured human umbilical vein endothelial cells.ConclusionThese observations demonstrate that GlcNAc6ST-2 is induced in RA vessels and provide potential cytokine pathways for its induction. GlcNAc6ST-2 is a novel marker of activated vessels within RA ectopic lymphoid aggregates. This enzyme represents a potential therapeutic target for RA

Quasilocalized gravity without asymptotic flatness

We present a toy model of a generic five-dimensional warped geometry in which the 4D graviton is not fully localized on the brane. Studying the tensor sector of metric perturbation around this background, we find that its contribution to the effective gravitational potential is of 4D type (1/r) at the intermediate scales and that at the large scales it becomes 1/r^{1+alpha}, 0<alpha=< 1 being a function of the parameters of the model (alpha=1 corresponds to the asymptotically flat geometry). Large-distance behavior of the potential is therefore not necessarily five-dimensional. Our analysis applies also to the case of quasilocalized massless particles other than graviton.Comment: 9 pages, 1 figure; to be published in Phys. Rev.